Vitas-M small molecule compound
(3E)-3-[4-(3-hydroxyphenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-ylidene]-6-methyl-2H-pyran-2,4(3H)-dione
Catalog ID
STL177347
SMILES CC1=CC(=O)/C(=C\2/CC(Nc3c(N2)cccc3)c2cccc(c2)O)/C(=O)O1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H18N2O4 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4/c1-12-9-19(25)20(21(26)27-12)18-11-17(13-5-4-6-14(24)10-13)22-15-7-2-3-8-16(15)23-18/h2-10,17,22-24H,11H2,1H3/b20-18+InChIKey
CTTRWDJQXLVNOS-CZIZESTLSA-NSynonyms
1263038-91-0(3E)3(2(3hydroxyphenyl)1235tetrahydro15benzodiazepin4ylidene)6methylpyran24dione
(3E)3(4(3hydroxyphenyl)1345tetrahydro2H15benzodiazepin2ylidene)6methyl2Hpyran24(3H)dione
1263038910
3(4(3HYDROXYPHENYL)(1H3H4H5HBENZO(B)14DIAZEPIN2YLIDENE))6METHYLPYRAN24DIONE
CC1=CC(=O)C(=C2CC(NC3=CC=CC=C3N2)C4=CC(=CC=C4)O)C(=O)O1
CC1=CC(=O)C(=C2CC(Nc3c(N2)cccc3)c2cccc(c2)O)C(=O)O1
InChI=1SC21H18N2O4c112919(25)20(21(26)2712)181117(1354614(24)1013)2215723816(15)2318h210172224H11H21H3b2018+
MFCD20760025
ZINC000102443791
ZINC000102443794
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